#!/bin/bash

# Sergiievskyi V. MIS MPI 2011
# convert pdb file to 2 files wherer coordinates and atom names are stored
#

echo usage: ./pdb2xyzAtomname <pdbfile> <xyzfile> <atomnamefile>

cat $1 | grep ^ATOM | gawk '{print $12 }'  > $3
cat $1 | grep ^ATOM | gawk '{print $7" "$8" "$9 }'  > $2
